Compound Detail
CHEMBL3085901
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL3085901 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AHLBNLLBQMIJBU-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
290.4
MW (Da)
3.10
ALogP
4
HBA
1
HBD
59.1
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 4.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania infantum CHEMBL612848 | IC50 | 4.74 | 4.575 | 18400.0 | 2 |
| Leishmania guyanensis CHEMBL612793 | IC50 | 4.62 | 4.62 | 23700.0 | 1 |
| Leishmania braziliensis CHEMBL612878 | IC50 | 4.51 | 4.51 | 30600.0 | 1 |
| Leishmania amazonensis CHEMBL612877 | IC50 | 4.11 | 4.095 | 77500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania infantum | IC50 | = | 18400.0 | nM | 4.74 | Leishmanicidal activity against extracellular promastigote stage of Leishmania i... | 24151871 |
| Leishmania guyanensis | IC50 | = | 23700.0 | nM | 4.62 | Leishmanicidal activity against extracellular promastigote stage of Leishmania g... | 24151871 |
| Leishmania braziliensis | IC50 | = | 30600.0 | nM | 4.51 | Leishmanicidal activity against extracellular promastigote stage of Leishmania b... | 24151871 |
| Leishmania infantum | IC50 | = | 39200.0 | nM | 4.41 | Leishmanicidal activity against intracellular amastigote stage of Leishmania inf... | 24151871 |
| Leishmania amazonensis | IC50 | = | 77500.0 | nM | 4.11 | Leishmanicidal activity against intracellular amastigote stage of Leishmania ama... | 24151871 |
| Leishmania amazonensis | IC50 | = | 82600.0 | nM | 4.08 | Leishmanicidal activity against extracellular promastigote stage of Leishmania a... | 24151871 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24151871 | 10.1021/jm4006127 | Leishmania infantum | 4 |
| 24151871 | 10.1021/jm4006127 | Unchecked | 4 |
| 24151871 | 10.1021/jm4006127 | Trypanosoma cruzi | 2 |
| 24151871 | 10.1021/jm4006127 | Leishmania amazonensis | 2 |
| 24151871 | 10.1021/jm4006127 | ADMET | 1 |
| 24151871 | 10.1021/jm4006127 | J774 | 1 |
| 24151871 | 10.1021/jm4006127 | Leishmania guyanensis | 1 |
| 24151871 | 10.1021/jm4006127 | Leishmania braziliensis | 1 |
Data from ChEMBL 36 via Core Engine